chempirical

Dehydrocorydaline

C22H24NO4+CAS 30045-16-0366.44 g/mol

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OOOON+
Ether

Properties

Molecular formula
C22H24NO4+
Molar mass
366.44 g/mol
Exact mass
366.1705 Da
Melting point
170–173 °C
logP
3.69Crippen estimate
Polar surface area
40.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
30045-16-0
SMILES
COc1cc2c(cc1OC)-c1c(C)c3ccc(OC)c(OC)c3c[n+]1CC2
InChIKey
RFKQJTRWODZPHF-UHFFFAOYSA-N
InChI
InChI=1S/C22H24NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-12H,8-9H2,1-5H3/q+1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Dibenzo[a,g]quinolizinium, 5,6-dihydro-2,3,9,10-tetramethoxy-13-methyl-
  • Berbinium, 7,8,13,13a-tetradehydro-2,3,9,10-tetramethoxy-13-methyl-
  • Corydaline, dehydro-
  • 5,6-Dihydro-2,3,9,10-tetramethoxy-13-methyldibenzo[a,g]quinolizinium
  • 13-Methylpalmatine
  • 2,3,9,10-Tetramethoxy-13-methyl-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium

Work with Dehydrocorydaline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dehydrocorydaline nitrate13005-09-983 % similar Palmatine3486-67-762 % similar Palmatine chloride10605-02-458 % similar Berberine2086-83-154 % similar Berberine hydrochloride633-65-852 % similar Columbamine3621-36-151 % similar Epiberberine6873-09-249 % similar Neutral berberine sulfate316-41-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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